SCHEMBL29779860

SCHEMBL29779860

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 10/20 0.54
▸ IL1RN P18510 10/20 0.52
▸ ERAP1 Q9NZ08 6/20 0.52
▸ ECE1 P42892 5/20 0.50
▸ MMP2 P08253 3/20 0.49
▸ MMP1 P03956 2/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29849002 0.93 ACE (0.52) ERAP2IL1RNERAP1ECE1MMP2
SCHEMBL29516260 0.92 ERAP2 (0.61) ERAP2IL1RNERAP1ECE1
SCHEMBL30465916 0.90 ERAP2 (0.64) ERAP2IL1RNERAP1ECE1
SCHEMBL31510664 0.90 GHSR (0.51) ERAP2ECE1
SCHEMBL30567416 0.90 ACE (0.54) ERAP2ECE1
SCHEMBL30500405 0.89 ECE1 (0.59) ERAP2IL1RNERAP1ECE1MMP2
SCHEMBL29427859 0.89 ERAP2 (0.63) ERAP2IL1RNERAP1ECE1MMP2
SCHEMBL31510666 0.88 ECE1 (0.54) ERAP2IL1RNERAP1ECE1MMP2
SCHEMBL30843962 0.87 ACE (0.52) ERAP2ECE1MMP2MMP1MMP9
SCHEMBL30436333 0.87 ECE1 (0.61) ERAP2IL1RNERAP1ECE1MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716507-A Preparation method and application of active peptide and active peptide composition for regulating facial flora 深圳海创生物科技有限公司 2022-07-08 — — CN claimed
CN-114716507-A Preparation method and application of active peptide and active peptide composition for regulating facial flora 深圳海创生物科技有限公司 2022-07-08 — — CN disclosed
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